5X1R
PpkA-294 apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2015-06-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 59.100, 65.500, 78.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.21630 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2247: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.670 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.058 | 0.403 |
| Rpim | 0.017 | 0.127 |
| Number of reflections | 40724 | 5206 |
| <I/σ(I)> | 20.5 | 4.4 |
| Completeness [%] | 98.1 | 87.8 |
| Redundancy | 12.6 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | PEG3350, sodium chloride |
